Predicted protein targets (top 8)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 2/20 | 0.43 |
| ▸ | CYP1A2 | P05177 | 2/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 2/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 2/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 2/20 | 0.42 |
| ▸ | GAA | P10253 | 1/20 | 0.42 |
| ▸ | NPSR1 | Q6W5P4 | 1/20 | 0.42 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.41 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL8708324 | 1.00 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9597927 | 0.76 | L3MBTL1 (0.49) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8713665 | 0.76 | NPSR1 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL8713667 | 0.76 | NPSR1 (0.45) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9683719 | 0.73 | NPSR1 (0.55) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9293280 | 0.73 | CYP1A2 (0.46) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL27638672 | 0.72 | ALDH1A1 (0.43) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| SCHEMBL9694645 | 0.70 | CYP1A2 (0.44) | CYP1A2CYP3A4CYP2C9CYP2C19GAA | |
| Bispyribac SCHEMBL9195412 | 0.70 | CYP1A2 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 | |
| Bispyribac SCHEMBL116404 | 0.70 | CYP1A2 (0.51) | ALDH1A1CYP1A2CYP3A4CYP2C9CYP2C19 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| WO-1998001430-A1 | NITROALKYL-SUBSTITUTED PYRIMIDINYL OR TRIAZINYL (OXY, THIO, METHYL) PHENYL OR PYRIDINYL DERIVATIVES, THEIR PRODUCTION AND USE AS HERBICIDES OR PLANT GROWTH REGULATORS | HOECHST SCHERING AGREVO GMBH (DE) | 1998-01-15 | — | — | WO | disclosed |